CID 56603534

619294-35-8

Structural Information

Molecular Formula

C₂₄H₂₅N

SMILES

CCCCCN1C=C(C2=CC=CC=C21)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H25N/c1-2-3-8-16-25-18-21(23-14-6-7-15-24(23)25)17-20-12-9-11-19-10-4-5-13-22(19)20/h4-7,9-15,18H,2-3,8,16-17H2,1H3

InChIKey

TYBRSILIYTUTSQ-UHFFFAOYSA-N

Compound name

3-(naphthalen-1-ylmethyl)-1-pentylindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 327.1987 Da
Monoisotopic Mass: 6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	328.20598	182.6
[M+Na]+	350.18792	191.3
[M-H]-	326.19142	189.6
[M+NH4]+	345.23252	199.2
[M+K]+	366.16186	183.2
[M+H-H2O]+	310.19596	173.1
[M+HCOO]-	372.19690	203.8
[M+CH3COO]-	386.21255	193.6
[M+Na-2H]-	348.17337	186.7
[M]+	327.19815	186.1
[M]-	327.19925	186.1

Literature stripe

literature stripe

Patent stripe

patents stripe